2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Openeye Name: 2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide CAS Name: 2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide IUPAC Name: 2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Traditional Name: 2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3/c22-16(14-3-1-2-4-15(14)21(23)24)19-13-7-5-12(6-8-13)9-20-11-17-10-18-20/h1-8,10-11H,9H2,(H,19,22)